3-(3-bromanyl-4-methoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-(3-bromo-4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C16H14BrNO2S MolecularWeight: 364.25686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CSC3=CC=CC=C3NC2=O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2CSC3=CC=CC=C3NC2=O)Br

InChI

InChI=1S/C16H14BrNO2S/c1-20-14-7-6-10(8-12(14)17)11-9-21-15-5-3-2-4-13(15)18-16(11)19/h2-8,11H,9H2,1H3,(H,18,19)